N-Acetylamphotericin B methyl ester
Basic information
- CAS
62008-36-0- Standard SMILES
COC(=O)C1C(O)CC2(O)CC(O)CC(O)C(O)CCC(O)CC(O)CC(=O)OC(C)C(C)C(O)C(C)/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C(OC3OC(C)C(O)C(NC(C)=O)C3O)CC1O2- InChIKey
NDVSCMLXIAPNEI-WQYHWZGMSA-N- Molecular formula
- C50H77NO18
- Average molar mass
- 980.1 g/mol
- Monoisotopic mass
- 979.51406461
Names & identifiers
- Preferred name
- N-Acetylamphotericin B methyl ester
- IUPAC
- methyl (19E,21E,23E,25E,27E,29E,31E)-33-(4-acetamido-3,5-dihydroxy-6-methyloxan-2-yl)oxy-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylate
- English name
- N-Acetylamphotericin B methyl ester
- Molecular formula
- C50H77NO18
- Molecular weight
- 980.14
Names & synonyms
N-Acetyl methyl ester ambN-Acetylamphotericin B methyl ester62008-36-0RefChem:162680Amphotericin B, N-acetyl-, methyl estermethyl (19E,21E,23E,25E,27E,29E,31E)-33-(4-acetamido-3,5-dihydroxy-6-methyloxan-2-yl)oxy-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylate
Database identifiers
- CAS
62008-36-0- PubChem CID
- 6449902
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 312 Ų
- Hydrogen bond donors
- 11
- Hydrogen bond acceptors
- 18
- Rotatable bonds
- 5
- Heavy atoms
- 69
- Formal charge
- 0
- Complexity
- 1,800
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Compound notes
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